General Information of the Compound
| Compound ID |
CP0454787
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4,4-Dimethyl-2-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluoro-benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14F4N2O
|
||||||||||||||||||
| Molecular Weight |
350.315
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14F4N2O/c1-17(2)14-8-11(12-5-10(9-23)6-13(19)7-12)3-4-15(14)24-16(25-17)18(20,21)22/h3-8,16,24H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZOHVKQNZLFMHA-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound